UCSF

ZINC31933302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 7.19 -48.08 2 5 1 46 337.447 4
Hi High (pH 8-9.5) 2.72 5.79 -12.91 1 5 0 42 336.439 4
Mid Mid (pH 6-8) 2.72 7.6 -78.43 3 5 2 48 338.455 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )